program energy_hydrogen implicit none double precision, external :: e_loc, psi double precision :: x(50), w, delta, energy, dx, r(3), a(6), norm integer :: i, k, l, j a = (/ 0.1d0, 0.2d0, 0.5d0, 1.d0, 1.5d0, 2.d0 /) dx = 10.d0/(size(x)-1) do i=1,size(x) x(i) = -5.d0 + (i-1)*dx end do delta = dx**3 r(:) = 0.d0 do j=1,size(a) energy = 0.d0 norm = 0.d0 do i=1,size(x) r(1) = x(i) do k=1,size(x) r(2) = x(k) do l=1,size(x) r(3) = x(l) w = psi(a(j),r) w = w * w * delta energy = energy + w * e_loc(a(j), r) norm = norm + w end do end do end do energy = energy / norm print *, 'a = ', a(j), ' E = ', energy end do end program energy_hydrogen